methyl 2-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetyl]amino]acetic acid methyl ester Formula: C14H12F3N3O3S MolecularWeight: 359.32359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CSC1=NC(=NC2=CC=CC=C21)C(F)(F)F

Isomeric SMILES

COC(=O)CNC(=O)CSC1=NC(=NC2=CC=CC=C21)C(F)(F)F

InChI

InChI=1S/C14H12F3N3O3S/c1-23-11(22)6-18-10(21)7-24-12-8-4-2-3-5-9(8)19-13(20-12)14(15,16)17/h2-5H,6-7H2,1H3,(H,18,21)